Chemical ID: 5454875

Cc1c(sc2c1c(=O)[nH]c(n2)CN3CCOCC3)C
Chemical ID:
5454875
Name [?]:
7,8-dimethyl-3-(morpholinomethyl)-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-5-one
SMILES [?]:
Cc1c(sc2c1c(=O)[nH]c(n2)CN3CCOCC3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H17N3O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.79824
Area:446.963
Solvation:-3.37583
Coulombic:-38.8488
Bond Count [?]
All:21
Single:17
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:279.359
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:-0.6
LogP (Chemaxon):0.99

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue